(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

C15H14N6O — CID 30885025

IUPAC(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2cccnc2-n2cccn2)cn1
InChIInChI=1S/C15H14N6O/c1-20-11-12(10-18-20)5-6-14(22)19-13-4-2-7-16-15(13)21-9-3-8-17-21/h2-11H,1H3,(H,19,22)/b6-5+
InChIKeyPAYQRCZSAWLHSK-AATRIKPKSA-N
MW294.32 g/mol
LogP1.65
Rot. Bonds4

About (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 30885025) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID30885025
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2cccnc2-n2cccn2)cn1
InChIInChI=1S/C15H14N6O/c1-20-11-12(10-18-20)5-6-14(22)19-13-4-2-7-16-15(13)21-9-3-8-17-21/h2-11H,1H3,(H,19,22)/b6-5+
InChIKeyPAYQRCZSAWLHSK-AATRIKPKSA-N
XLogP1.65
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553158
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884920
2-methyl-6-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]benzoic acid
CID 77034435
(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60576773
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55611611
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884903
N-[2-(hydroxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 61497888
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884925
6-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 61320435
4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43170119
(E)-N-(5-chloro-2-fluorophenyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 47110059
1-amino-N-(2-pyrazol-1-yl-3-pyridinyl)cyclobutane-1-carboxamide
CID 81179316

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (CID 30885025) is (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is Cn1cc(/C=C/C(=O)Nc2cccnc2-n2cccn2)cn1.
What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is PAYQRCZSAWLHSK-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14N6O/c1-20-11-12(10-18-20)5-6-14(22)19-13-4-2-7-16-15(13)21-9-3-8-17-21/h2-11H,1H3,(H,19,22)/b6-5+.
What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 294.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 30885025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).